Molecular Modeling and Rational Drug Design -
A Perspective
Antoni Laczkowsky*, Edgar F. Meyer+, Stanley M. Swanson+, and R. Kendra
Worick+
*Department of Biophysics, Institute of Experimental Physics, University
of Warsaw, Zwirki i Wigury 93, PL-02-089 Warszawa, Poland
+Biographics Laboratory, Department of Biochemistry and Biophysics, Texas
A&M University, College Station, Texas 77843-2128 USA
Enormous progress had been made in the study of biological macromolecules,
primarily due to two essential methods, X-ray crystallography and interactive
computer graphics. The tools necessary to access and utilize these data
are at our fingertips thanks to the world wide web and Internet. We here
illustrate the use of the web by a beginning student and compare the results
with experimentally determined structures of two human matrix metalloproteinases.
We then discuss a facile graphics modelling program, PRONTO. Finally, we
speculate on what science might be like when some of the current bottle-necks
are removed.
"Molecular Modeling and Rational Drug Design - A Perspective" A.Laczkowsky,
E. F. Meyer, S. M. Swanson, and R. K. Worick (1996); proceedings, 12th Iranian
comngress of Physiology and Pharmacology, M. Mahmoudian, ed., (in the press.)
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